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CAS 3897-65-2 3-ethyl-3-(phenoxymethyl)-Oxetane molecular structure lightbox
CAS RN: 3897-65-2

3-ethyl-3-(phenoxymethyl)-Oxetane

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250512 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS3897-65-2
  • Purity/Analytical Methods: >99.0%
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3897-65-2 / 3-ethyl-3-(phenoxymethyl)oxetane

Standard CAS: 3897-65-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3897-65-2
Multi CAS
No
Molecular Formula
C12H16O2
Molecular Weight
192.250000
Exact Mass
192.115030
InChI
InChI=1S/C12H16O2/c1-2-12(8-13-9-12)10-14-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKey
JUXZNIDKDPLYBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
55.48
TPSA
18.46

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
2.5
Consensus LogP
2.39
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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